Locality of Interatomic Interactions in Self-Consistent Tight Binding Models
Mathematical Physics
2020-09-10 v1 math.MP
Abstract
A key starting assumption in many classical interatomic potential models for materials is a site energy decomposition of the potential energy surface into contributions that only depend on a small neighbourhood. Under a natural stability condition, we construct such a spatial decomposition for self-consistent tight binding models, extending recent results for linear tight binding models to the non-linear setting.
Cite
@article{arxiv.2004.09323,
title = {Locality of Interatomic Interactions in Self-Consistent Tight Binding Models},
author = {Jack Thomas},
journal= {arXiv preprint arXiv:2004.09323},
year = {2020}
}
Comments
15 pages